Intra-basepair Parameters Buckle(°) -15.40 Open angle(°) -8.22 Propeller (°) -53.8 Stagger (Å) -0.2 Shear (Å) -1.87 Stretch (Å) 3.73

Basepair Geometry C1'-C1' Distance(Å) 5.45 C6-C8 Distance (Å) 9.42 Opening (°) 149.44 Glycosidic angle- 1 (°) 101.94 Glycosidic angle- 2 (°) 121.63

Quantum Chemical interaction energy = -7.78 Kcal/mol

(Ref: Panigrahi et.al ,J. Biomol. Struc. Dyn.,2011, 3)

Intra-basepair parameters and basepair geometry are calculated by NUPARM.